3-chloro-N-(1H-imidazol-2-ylmethyl)pyridin-2-amine

C9H9ClN4 — CID 64531503

IUPAC3-chloro-N-(1H-imidazol-2-ylmethyl)pyridin-2-amine
SMILESClc1cccnc1NCc1ncc[nH]1
InChIInChI=1S/C9H9ClN4/c10-7-2-1-3-13-9(7)14-6-8-11-4-5-12-8/h1-5H,6H2,(H,11,12)(H,13,14)
InChIKeyJWZIHSGEYBGNFK-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.07
Rot. Bonds3

About 3-chloro-N-(1H-imidazol-2-ylmethyl)pyridin-2-amine

3-chloro-N-(1H-imidazol-2-ylmethyl)pyridin-2-amine (PubChem CID 64531503) has the molecular formula C9H9ClN4 and a molecular weight of 208.65 g/mol. Its IUPAC name is 3-chloro-N-(1H-imidazol-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(1H-imidazol-2-ylmethyl)pyridin-2-amine
PubChem CID64531503
Molecular FormulaC9H9ClN4
Molecular Weight208.65 g/mol
Exact Mass208.05
IUPAC Name3-chloro-N-(1H-imidazol-2-ylmethyl)pyridin-2-amine
SMILESClc1cccnc1NCc1ncc[nH]1
InChIInChI=1S/C9H9ClN4/c10-7-2-1-3-13-9(7)14-6-8-11-4-5-12-8/h1-5H,6H2,(H,11,12)(H,13,14)
InChIKeyJWZIHSGEYBGNFK-UHFFFAOYSA-N
XLogP2.07
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(1H-imidazol-2-ylmethyl)pyrimidin-4-amine
CID 105369457
N-[[4-(aminomethyl)phenyl]methyl]-3-chloropyridin-2-amine
CID 54936217
N-[(4-aminophenyl)methyl]-3-chloropyridin-2-amine
CID 60877011
[4-[[(3-chloro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107232377
2-(2,6-dichlorophenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine
CID 119126147
2-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine
CID 119126099
2,6-dichloro-4-fluoro-N-(1H-imidazol-2-ylmethyl)aniline
CID 83076307
3-bromo-5-chloro-N-(1H-imidazol-2-ylmethyl)pyridin-2-amine
CID 114835941
3-chloro-N-(3-chloropropyl)pyridin-2-amine
CID 65030223
6-chloro-N-(1H-imidazol-2-ylmethyl)-5-propan-2-ylpyrimidin-4-amine
CID 106195237
3-chloro-2-fluoro-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 64532116
3-chloro-N-[(5-methylthiophen-2-yl)methyl]pyridin-2-amine
CID 62057687

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1H-imidazol-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-(1H-imidazol-2-ylmethyl)pyridin-2-amine (CID 64531503) is 3-chloro-N-(1H-imidazol-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-(1H-imidazol-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-(1H-imidazol-2-ylmethyl)pyridin-2-amine is Clc1cccnc1NCc1ncc[nH]1.
What is the InChIKey of 3-chloro-N-(1H-imidazol-2-ylmethyl)pyridin-2-amine?
The InChIKey is JWZIHSGEYBGNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4/c10-7-2-1-3-13-9(7)14-6-8-11-4-5-12-8/h1-5H,6H2,(H,11,12)(H,13,14).
What are the key properties of 3-chloro-N-(1H-imidazol-2-ylmethyl)pyridin-2-amine?
3-chloro-N-(1H-imidazol-2-ylmethyl)pyridin-2-amine has a molecular weight of 208.65 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1H-imidazol-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 64531503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).