[5-chloro-2-[propan-2-yl(propyl)amino]-4-pyridinyl]methanol

C12H19ClN2O — CID 114920224

IUPAC[5-chloro-2-[propan-2-yl(propyl)amino]-4-pyridinyl]methanol
SMILESCCCN(c1cc(CO)c(Cl)cn1)C(C)C
InChIInChI=1S/C12H19ClN2O/c1-4-5-15(9(2)3)12-6-10(8-16)11(13)7-14-12/h6-7,9,16H,4-5,8H2,1-3H3
InChIKeyBUFRSFGQYJQTTP-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.85
Rot. Bonds5

About [5-chloro-2-[propan-2-yl(propyl)amino]-4-pyridinyl]methanol

[5-chloro-2-[propan-2-yl(propyl)amino]-4-pyridinyl]methanol (PubChem CID 114920224) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is [5-chloro-2-[propan-2-yl(propyl)amino]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-[propan-2-yl(propyl)amino]-4-pyridinyl]methanol
PubChem CID114920224
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name[5-chloro-2-[propan-2-yl(propyl)amino]-4-pyridinyl]methanol
SMILESCCCN(c1cc(CO)c(Cl)cn1)C(C)C
InChIInChI=1S/C12H19ClN2O/c1-4-5-15(9(2)3)12-6-10(8-16)11(13)7-14-12/h6-7,9,16H,4-5,8H2,1-3H3
InChIKeyBUFRSFGQYJQTTP-UHFFFAOYSA-N
XLogP2.85
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-chloro-2-(diethylamino)-4-pyridinyl]methanol
CID 114920176
5-chloro-4-(chloromethyl)-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine
CID 114920954
[6-[propan-2-yl(propyl)amino]pyrazin-2-yl]methanol
CID 66466147
5-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylpyridin-2-amine
CID 114925130
5-(chloromethyl)-N-propan-2-yl-N-propylpyrazin-2-amine
CID 107373326
5-chloro-4-(chloromethyl)-N-methyl-N-propylpyridin-2-amine
CID 114920828
[6-[propan-2-yl(propyl)amino]pyridazin-3-yl]methanol
CID 61257071
(5-chloro-2-pentan-2-yloxy-4-pyridinyl)methanol
CID 102982999
[4-methyl-2-[propan-2-yl(propyl)amino]pyrimidin-5-yl]methanol
CID 83185065
[2-[bis(prop-2-enyl)amino]-5-chloro-4-pyridinyl]methanol
CID 114920172
[5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]-4-pyridinyl]methanol
CID 114920252
ethyl 5-amino-2-[propan-2-yl(propyl)amino]pyridine-4-carboxylate
CID 114090076

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-[propan-2-yl(propyl)amino]-4-pyridinyl]methanol?
The IUPAC name of [5-chloro-2-[propan-2-yl(propyl)amino]-4-pyridinyl]methanol (CID 114920224) is [5-chloro-2-[propan-2-yl(propyl)amino]-4-pyridinyl]methanol.
What is the SMILES notation for [5-chloro-2-[propan-2-yl(propyl)amino]-4-pyridinyl]methanol?
The canonical SMILES for [5-chloro-2-[propan-2-yl(propyl)amino]-4-pyridinyl]methanol is CCCN(c1cc(CO)c(Cl)cn1)C(C)C.
What is the InChIKey of [5-chloro-2-[propan-2-yl(propyl)amino]-4-pyridinyl]methanol?
The InChIKey is BUFRSFGQYJQTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-4-5-15(9(2)3)12-6-10(8-16)11(13)7-14-12/h6-7,9,16H,4-5,8H2,1-3H3.
What are the key properties of [5-chloro-2-[propan-2-yl(propyl)amino]-4-pyridinyl]methanol?
[5-chloro-2-[propan-2-yl(propyl)amino]-4-pyridinyl]methanol has a molecular weight of 242.75 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-[propan-2-yl(propyl)amino]-4-pyridinyl]methanol is sourced from PubChem (CID 114920224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).