6-amino-5-chloro-2-methylpyridine-3-carbonitrile;5-(aminomethyl)-3-chloro-6-methylpyridin-2-amine;methane;hydrochloride

C15H21Cl3N6 — CID 159882426

IUPAC6-amino-5-chloro-2-methylpyridine-3-carbonitrile;5-(aminomethyl)-3-chloro-6-methylpyridin-2-amine;methane;hydrochloride
SMILESC.Cc1nc(N)c(Cl)cc1C#N.Cc1nc(N)c(Cl)cc1CN.Cl
InChIInChI=1S/C7H10ClN3.C7H6ClN3.CH4.ClH/c2*1-4-5(3-9)2-6(8)7(10)11-4;;/h2H,3,9H2,1H3,(H2,10,11);2H,1H3,(H2,10,11);1H4;1H
InChIKeyIOJBRYJVVVLVBY-UHFFFAOYSA-N
MW391.73 g/mol
LogP3.64
Rot. Bonds1

About 6-amino-5-chloro-2-methylpyridine-3-carbonitrile;5-(aminomethyl)-3-chloro-6-methylpyridin-2-amine;methane;hydrochloride

6-amino-5-chloro-2-methylpyridine-3-carbonitrile;5-(aminomethyl)-3-chloro-6-methylpyridin-2-amine;methane;hydrochloride (PubChem CID 159882426) has the molecular formula C15H21Cl3N6 and a molecular weight of 391.73 g/mol. Its IUPAC name is 6-amino-5-chloro-2-methylpyridine-3-carbonitrile;5-(aminomethyl)-3-chloro-6-methylpyridin-2-amine;methane;hydrochloride.

Molecular Properties

Compound Name6-amino-5-chloro-2-methylpyridine-3-carbonitrile;5-(aminomethyl)-3-chloro-6-methylpyridin-2-amine;methane;hydrochloride
PubChem CID159882426
Molecular FormulaC15H21Cl3N6
Molecular Weight391.73 g/mol
Exact Mass390.09
IUPAC Name6-amino-5-chloro-2-methylpyridine-3-carbonitrile;5-(aminomethyl)-3-chloro-6-methylpyridin-2-amine;methane;hydrochloride
SMILESC.Cc1nc(N)c(Cl)cc1C#N.Cc1nc(N)c(Cl)cc1CN.Cl
InChIInChI=1S/C7H10ClN3.C7H6ClN3.CH4.ClH/c2*1-4-5(3-9)2-6(8)7(10)11-4;;/h2H,3,9H2,1H3,(H2,10,11);2H,1H3,(H2,10,11);1H4;1H
InChIKeyIOJBRYJVVVLVBY-UHFFFAOYSA-N
XLogP3.64
TPSA127.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.73
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(aminomethyl)-3-chloro-6-methylpyridin-2-amine
CID 118665237
6-(2-aminoethoxy)-5-chloro-2-methylpyridine-3-carbonitrile
CID 130594861
2-amino-5-(aminomethyl)-6-methylpyridine-3-carbonitrile;tert-butyl 3-(6-amino-5-cyano-2-methyl-3-pyridinyl)propanoate;methane;hydrochloride
CID 157450482
5-(aminomethyl)-2,4-dichlorobenzonitrile
CID 171012671
2-amino-5-cyano-6-methylpyridine-3-carbothioamide
CID 12909855
6-(aminomethyl)-2-methylpyridine-3-carbonitrile
CID 82502522
5-chloro-2-(ethylamino)-6-methylpyridine-3-carbonitrile
CID 155040649
2-(aminomethyl)-6-chloro-4-methylbenzonitrile
CID 171015696
4-(aminomethyl)-2-chloro-5-nitrobenzonitrile
CID 171015854
5-(aminomethyl)-2-chloro-4-cyanobenzoic acid
CID 131027958
(1,3,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)methanamine
CID 82504722
methyl 2-[4-(aminomethyl)-2-chloro-5-cyanophenyl]acetate
CID 134658171

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-2-methylpyridine-3-carbonitrile;5-(aminomethyl)-3-chloro-6-methylpyridin-2-amine;methane;hydrochloride?
The IUPAC name of 6-amino-5-chloro-2-methylpyridine-3-carbonitrile;5-(aminomethyl)-3-chloro-6-methylpyridin-2-amine;methane;hydrochloride (CID 159882426) is 6-amino-5-chloro-2-methylpyridine-3-carbonitrile;5-(aminomethyl)-3-chloro-6-methylpyridin-2-amine;methane;hydrochloride.
What is the SMILES notation for 6-amino-5-chloro-2-methylpyridine-3-carbonitrile;5-(aminomethyl)-3-chloro-6-methylpyridin-2-amine;methane;hydrochloride?
The canonical SMILES for 6-amino-5-chloro-2-methylpyridine-3-carbonitrile;5-(aminomethyl)-3-chloro-6-methylpyridin-2-amine;methane;hydrochloride is C.Cc1nc(N)c(Cl)cc1C#N.Cc1nc(N)c(Cl)cc1CN.Cl.
What is the InChIKey of 6-amino-5-chloro-2-methylpyridine-3-carbonitrile;5-(aminomethyl)-3-chloro-6-methylpyridin-2-amine;methane;hydrochloride?
The InChIKey is IOJBRYJVVVLVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3.C7H6ClN3.CH4.ClH/c2*1-4-5(3-9)2-6(8)7(10)11-4;;/h2H,3,9H2,1H3,(H2,10,11);2H,1H3,(H2,10,11);1H4;1H.
What are the key properties of 6-amino-5-chloro-2-methylpyridine-3-carbonitrile;5-(aminomethyl)-3-chloro-6-methylpyridin-2-amine;methane;hydrochloride?
6-amino-5-chloro-2-methylpyridine-3-carbonitrile;5-(aminomethyl)-3-chloro-6-methylpyridin-2-amine;methane;hydrochloride has a molecular weight of 391.73 g/mol, XLogP of 3.64, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-chloro-2-methylpyridine-3-carbonitrile;5-(aminomethyl)-3-chloro-6-methylpyridin-2-amine;methane;hydrochloride is sourced from PubChem (CID 159882426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).