N-[(2-amino-6-chlorophenyl)methyl]pyridin-3-amine

C12H12ClN3 — CID 169152040

IUPACN-[(2-amino-6-chlorophenyl)methyl]pyridin-3-amine
SMILESNc1cccc(Cl)c1CNc1cccnc1
InChIInChI=1S/C12H12ClN3/c13-11-4-1-5-12(14)10(11)8-16-9-3-2-6-15-7-9/h1-7,16H,8,14H2
InChIKeyCLVPKGMZABWDNV-UHFFFAOYSA-N
MW233.70 g/mol
LogP2.93
Rot. Bonds3

About N-[(2-amino-6-chlorophenyl)methyl]pyridin-3-amine

N-[(2-amino-6-chlorophenyl)methyl]pyridin-3-amine (PubChem CID 169152040) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is N-[(2-amino-6-chlorophenyl)methyl]pyridin-3-amine.

Molecular Properties

Compound NameN-[(2-amino-6-chlorophenyl)methyl]pyridin-3-amine
PubChem CID169152040
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC NameN-[(2-amino-6-chlorophenyl)methyl]pyridin-3-amine
SMILESNc1cccc(Cl)c1CNc1cccnc1
InChIInChI=1S/C12H12ClN3/c13-11-4-1-5-12(14)10(11)8-16-9-3-2-6-15-7-9/h1-7,16H,8,14H2
InChIKeyCLVPKGMZABWDNV-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-[(chloroamino)methyl]aniline
CID 57472377
2,6-dichloro-N-pyridin-3-ylbenzenesulfonamide
CID 890470
N-[(5-chlorofuran-2-yl)methyl]pyridin-3-amine
CID 60769761
3-chloro-2-[(pyrimidin-5-ylamino)methyl]phenol
CID 107588343
N-[(2,6-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine chloride
CID 21233303
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
N-[(2,4-dichlorophenyl)methyl]pyridin-3-amine;dihydrochloride
CID 71432381
N-[(3,5-dichloro-4-pyridinyl)methyl]aniline
CID 141060907
N-(anthracen-9-ylmethyl)pyridin-3-amine
CID 71363548
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-pyridin-3-ylacetamide
CID 951606
N-benzylpyridin-3-amine;dihydrochloride
CID 71432393
2,6-dichloro-N-(pyridin-3-ylmethyl)aniline
CID 913968

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-6-chlorophenyl)methyl]pyridin-3-amine?
The IUPAC name of N-[(2-amino-6-chlorophenyl)methyl]pyridin-3-amine (CID 169152040) is N-[(2-amino-6-chlorophenyl)methyl]pyridin-3-amine.
What is the SMILES notation for N-[(2-amino-6-chlorophenyl)methyl]pyridin-3-amine?
The canonical SMILES for N-[(2-amino-6-chlorophenyl)methyl]pyridin-3-amine is Nc1cccc(Cl)c1CNc1cccnc1.
What is the InChIKey of N-[(2-amino-6-chlorophenyl)methyl]pyridin-3-amine?
The InChIKey is CLVPKGMZABWDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c13-11-4-1-5-12(14)10(11)8-16-9-3-2-6-15-7-9/h1-7,16H,8,14H2.
What are the key properties of N-[(2-amino-6-chlorophenyl)methyl]pyridin-3-amine?
N-[(2-amino-6-chlorophenyl)methyl]pyridin-3-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 N-[(2-amino-6-chlorophenyl)methyl]pyridin-3-amine is sourced from PubChem (CID 169152040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).