2-[(2-chloroanilino)methyl]pyridin-4-amine

C12H12ClN3 — CID 105493854

IUPAC2-[(2-chloroanilino)methyl]pyridin-4-amine
SMILESNc1ccnc(CNc2ccccc2Cl)c1
InChIInChI=1S/C12H12ClN3/c13-11-3-1-2-4-12(11)16-8-10-7-9(14)5-6-15-10/h1-7,16H,8H2,(H2,14,15)
InChIKeyLLEZXCYIIGMCOB-UHFFFAOYSA-N
MW233.70 g/mol
LogP2.93
Rot. Bonds3

About 2-[(2-chloroanilino)methyl]pyridin-4-amine

2-[(2-chloroanilino)methyl]pyridin-4-amine (PubChem CID 105493854) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 2-[(2-chloroanilino)methyl]pyridin-4-amine.

Molecular Properties

Compound Name2-[(2-chloroanilino)methyl]pyridin-4-amine
PubChem CID105493854
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name2-[(2-chloroanilino)methyl]pyridin-4-amine
SMILESNc1ccnc(CNc2ccccc2Cl)c1
InChIInChI=1S/C12H12ClN3/c13-11-3-1-2-4-12(11)16-8-10-7-9(14)5-6-15-10/h1-7,16H,8H2,(H2,14,15)
InChIKeyLLEZXCYIIGMCOB-UHFFFAOYSA-N
XLogP2.93
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methylanilino)methyl]pyridin-4-amine
CID 105466992
2-chloro-4-iodo-N-(pyridin-2-ylmethyl)aniline
CID 43733694
2-[(2-chloroanilino)methyl]aniline
CID 66387029
2-chloro-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)aniline
CID 43714578
5-bromo-2-chloro-N-(pyridin-2-ylmethyl)aniline
CID 62913558
2-chloro-N-(thiadiazol-4-ylmethyl)aniline
CID 43663914
2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]pyridin-4-amine
CID 79251856
3-chloro-2-N,2-N-dimethyl-1-N-(pyridin-2-ylmethyl)benzene-1,2-diamine
CID 43739781
2-chloro-6-(pyridin-2-ylmethylamino)benzonitrile
CID 17393162
N-(2-chlorophenyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109212879
2-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087854
2-ethylpyridin-4-amine
CID 12015366

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloroanilino)methyl]pyridin-4-amine?
The IUPAC name of 2-[(2-chloroanilino)methyl]pyridin-4-amine (CID 105493854) is 2-[(2-chloroanilino)methyl]pyridin-4-amine.
What is the SMILES notation for 2-[(2-chloroanilino)methyl]pyridin-4-amine?
The canonical SMILES for 2-[(2-chloroanilino)methyl]pyridin-4-amine is Nc1ccnc(CNc2ccccc2Cl)c1.
What is the InChIKey of 2-[(2-chloroanilino)methyl]pyridin-4-amine?
The InChIKey is LLEZXCYIIGMCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c13-11-3-1-2-4-12(11)16-8-10-7-9(14)5-6-15-10/h1-7,16H,8H2,(H2,14,15).
What are the key properties of 2-[(2-chloroanilino)methyl]pyridin-4-amine?
2-[(2-chloroanilino)methyl]pyridin-4-amine has a molecular weight of 233.70 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloroanilino)methyl]pyridin-4-amine is sourced from PubChem (CID 105493854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).